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[4,4,5,5-tetradeuterate]-6-hydroxydodecan-2-one
SpectraBase Compound ID 5NtGVTs8eMj
InChI InChI=1S/C12H24O2/c1-3-4-5-6-9-12(14)10-7-8-11(2)13/h12,14H,3-10H2,1-2H3/i7D2,10D2
InChIKey JVXQOJUSVUBLFF-AQVLYMJBSA-N
Mol Weight 204.35 g/mol
Molecular Formula C12H20D4O2
Exact Mass 204.202737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMzcacAbvxD
Name [4,4,5,5-tetradeuterate]-6-hydroxydodecan-2-one
Alternate Name(s) 6-Hydroxydodecan-2-one-4,4,5,5-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20D4O2
InChI InChI=1S/C12H24O2/c1-3-4-5-6-9-12(14)10-7-8-11(2)13/h12,14H,3-10H2,1-2H3/i7D2,10D2
InChIKey JVXQOJUSVUBLFF-AQVLYMJBSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 204.346 g/mol
SMILES OC(C(C(CC(=O)C)([D])[D])([D])[D])CCCCCC
SPLASH splash10-052f-9000000000-cc1d270d019f67e4d64b
Source of Spectrum CBC-12-169-[D4]_29
Wiley ID 1786706